Chemical ID: 3972923

CCN1C(=O)C2C(NC(C2C1=O)(C(C)C)C(=O)O)c3ccc(cc3)c4ccccc4
Chemical ID:
3972923
Name [?]:
7-ethyl-4-isopropyl-6,8-dioxo-2-(4-phenylphenyl)-3,7-diazabicyclo[3.3.0]octane-4-carboxylic acid
SMILES [?]:
CCN1C(=O)C2C(NC(C2C1=O)(C(C)C)C(=O)O)c3ccc(cc3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:4
ZAP Information [?]
Total:10.753
Area:596.396
Solvation:-4.15689
Coulombic:-61.8466
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.474
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.74
LogP (Chemaxon):0.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue